SCHEMBL124897

SCHEMBL124897

CCCCCCC(C)C(=O)Oc1coccc1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.43
CETP P11597 1/20 0.40
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
CA1 P00915 2/20 0.36
ALDH1A1 P00352 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
TRPA1 O75762 1/20 0.34
CYP3A4 P08684 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
FAAH O00519 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL128069 0.95 ELANE (0.40) ELANECETPPRSS1PRSS2PRSS3
SCHEMBL10950684 0.81 ELANE (0.50) ELANECETP
SCHEMBL10943835 0.81 ELANE (0.50) ELANECETP
SCHEMBL15547726 0.78 PRSS1 (0.51) PRSS1PRSS2PRSS3CA1ALDH1A1
SCHEMBL15548255 0.78 PRSS1 (0.51) PRSS1PRSS2PRSS3CA1ALDH1A1
SCHEMBL15548923 0.78 PRSS1 (0.51) PRSS1PRSS2PRSS3CA1ALDH1A1
SCHEMBL15548954 0.76 PRSS1 (0.49) PRSS1PRSS2PRSS3CA1ALDH1A1
SCHEMBL15546952 0.76 PRSS1 (0.47) PRSS1PRSS2PRSS3CA1ALDH1A1
SCHEMBL15548411 0.76 PRSS1 (0.47) PRSS1PRSS2PRSS3CA1ALDH1A1
SCHEMBL15547957 0.76 PRSS1 (0.47) PRSS1PRSS2PRSS3CA1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2428577-B1 Preparation of tyrosinase-inhibiting hydroxybenzyl and hydroxypyranonemethyl esters EASTMAN CHEM CO (US) 2014-01-22 EP disclosed
EP-2428577-A1 Preparation of tyrosinase-inhibiting hydroxybenzyl and hydroxypyranonemethyl esters EASTMAN CHEMICAL COMPANY (US) 2012-03-14 EP disclosed
EP-2155886-B1 Cosmetic use of inhibitors of tyrosinase EASTMAN CHEM CO (US) 2012-03-07 EP disclosed
US-20110129430-A1 HYDROXYBENZYL OR HYDROXYPYRANONEMETHYL ESTERS AS TYROSINASE INHIBITORS EASTMAN CHEMICAL COMPANY (US) 2011-06-02 US disclosed
US-20080306144-A1 Hydroxybenzyl or hydroxypyranonemethyl esters as tyrosinase inhibitors EASTMAN CHEMICAL COMPANY 2008-12-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080306144-A1 Hydroxybenzyl or hydroxypyranonemethyl esters as tyrosinase inhibitors TYR, TH, HAAO ELANE 195/4885CETP 913/4885PRSS1 655/4885
US-20110129430-A1 HYDROXYBENZYL OR HYDROXYPYRANONEMETHYL ESTERS AS TYROSINASE INHIBITORS TYR, TH, HAAO ELANE 195/4885CETP 913/4885PRSS1 655/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.